N-methyl-N-(2-nitrophenyl)piperidin-4-amine

C12H17N3O2 — CID 171544363

IUPACN-methyl-N-(2-nitrophenyl)piperidin-4-amine
SMILESCN(c1ccccc1[N+](=O)[O-])C1CCNCC1
InChIInChI=1S/C12H17N3O2/c1-14(10-6-8-13-9-7-10)11-4-2-3-5-12(11)15(16)17/h2-5,10,13H,6-9H2,1H3
InChIKeyCNCPABDUUIJTEJ-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.78
Rot. Bonds3

About N-methyl-N-(2-nitrophenyl)piperidin-4-amine

N-methyl-N-(2-nitrophenyl)piperidin-4-amine (PubChem CID 171544363) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-methyl-N-(2-nitrophenyl)piperidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-(2-nitrophenyl)piperidin-4-amine
PubChem CID171544363
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN-methyl-N-(2-nitrophenyl)piperidin-4-amine
SMILESCN(c1ccccc1[N+](=O)[O-])C1CCNCC1
InChIInChI=1S/C12H17N3O2/c1-14(10-6-8-13-9-7-10)11-4-2-3-5-12(11)15(16)17/h2-5,10,13H,6-9H2,1H3
InChIKeyCNCPABDUUIJTEJ-UHFFFAOYSA-N
XLogP1.78
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-N-(2-nitrophenyl)methanesulfonamide
CID 172627024
N-methyl-2-(2-nitrophenoxy)-N-piperidin-4-ylacetamide;hydrochloride
CID 119442473
3-[methyl(pyrrolidin-3-yl)amino]-4-nitrobenzonitrile
CID 113444462
N-methyl-N-naphthalen-1-ylpiperidin-4-amine
CID 57088493
5-[methyl(piperidin-4-yl)amino]-2-nitrobenzoic acid
CID 61404765
N-methyl-N-(2-methyl-4-nitrophenyl)azepan-4-amine
CID 107173916
N,2-dimethyl-6-nitro-N-piperidin-4-ylbenzamide
CID 43602153
N-(4,5-dimethyl-2-nitrophenyl)-N-methylpyrrolidin-3-amine
CID 114281474
N-methyl-N-(2-methylphenyl)azepan-4-amine
CID 112690295
N,2-dimethyl-3-nitro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119965866
N-methyl-1-(2-nitrophenyl)-N-pyrrolidin-3-ylmethanesulfonamide
CID 63297855
N-(2-fluoro-5-methoxy-4-nitrophenyl)-N-methylazepan-4-amine
CID 107260569

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-nitrophenyl)piperidin-4-amine?
The IUPAC name of N-methyl-N-(2-nitrophenyl)piperidin-4-amine (CID 171544363) is N-methyl-N-(2-nitrophenyl)piperidin-4-amine.
What is the SMILES notation for N-methyl-N-(2-nitrophenyl)piperidin-4-amine?
The canonical SMILES for N-methyl-N-(2-nitrophenyl)piperidin-4-amine is CN(c1ccccc1[N+](=O)[O-])C1CCNCC1.
What is the InChIKey of N-methyl-N-(2-nitrophenyl)piperidin-4-amine?
The InChIKey is CNCPABDUUIJTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-14(10-6-8-13-9-7-10)11-4-2-3-5-12(11)15(16)17/h2-5,10,13H,6-9H2,1H3.
What are the key properties of N-methyl-N-(2-nitrophenyl)piperidin-4-amine?
N-methyl-N-(2-nitrophenyl)piperidin-4-amine has a molecular weight of 235.29 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-nitrophenyl)piperidin-4-amine is sourced from PubChem (CID 171544363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).